trans-1,4-Cyclohexanediol

Basic Information

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CAS Number

6995-79-5

Molecular Formula

C6H12O2

Molecular Weight

116.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

138.0 to 143.0 deg-C

Boiling Point

252 ºC

Density

1.156

Flash Point

66 ºC

Refractive Index

1.4270 (estimate)

SMILES

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C1CC(CCC1O)O

InChI

InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-

InChIKey

VKONPUDBRVKQLM-IZLXSQMJSA-N

LogP

0.28220000000000006

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

54.9

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CS-0049754
931-71-5
Q16912255
SCHEMBL787503
STR08594
PB27420
AKOS015912876
C2320
trans-1,4-Dihydroxycyclohexane
1,4-Cyclohexanediol, (Z)-
AKOS006282972
(1r,4r)-cyclohexane-1,4-diol
FT-0606824
trans-1,4-Cyclohexanediol
MFCD00075462
1,4-Dihydroxycyclohexane
SY001809
Z1178486717
DTXSID60878843
FT-0726556
Cyclohexane-1,4-diol
6995-79-5
1,4-cyclohexandiol
Q-200861
1,4-Cyclohexanediol, cis-
NSC 5651
Q-201852
cis-4-hydroxy-cyclohexanol
1,4-Cyclohexanediol, 99%
NS00042681
SCHEMBL28182

MDL Number

MFCD00063612

Customs Code

2906199090

FAQ

What regulatory guidelines apply to trans-1,4-Cyclohexanediol (CAS: 6995-79-5)?

Trans-1,4-Cyclohexanediol (CAS: 6995-79-5) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and is classified as a skin and eye irritant. In the European Union, it is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific requirements for its handling and use in consumer and industrial products.

Are there alternatives to trans-1,4-Cyclohexanediol (CAS: 6995-79-5) in synthesis?

Trans-1,4-Cyclohexanediol (CAS: 6995-79-5) can be synthesized using various alternative reagents such as 1,4-cyclohexanedicarboxylic acid and its derivatives. Other alternatives include other diols like ethylene glycol or 1,4-butanediol, which may offer similar functionality but with different physical properties and cost considerations.

What is the market or research trend for trans-1,4-Cyclohexanediol (CAS: 6995-79-5)?

The market for trans-1,4-Cyclohexanediol (CAS: 6995-79-5) is driven by its use in polyurethane production, adhesives, and coatings. Research trends focus on developing more sustainable and eco-friendly alternatives. The trend towards biodegradable materials is also influencing the demand for this compound, as it can be produced from renewable resources such as bio-based feedstocks.

How should waste containing trans-1,4-Cyclohexanediol (CAS: 6995-79-5) be handled?

Waste containing trans-1,4-Cyclohexanediol (CAS: 6995-79-5) should be collected in appropriate containers and stored in a well-ventilated area away from sources of ignition. It should be disposed of through professional waste disposal services that comply with local regulations. Incineration is a common method for disposal, but precautions must be taken to ensure complete combustion and to prevent the release of harmful pollutants. Environmental protection measures, such as neutralization and safer disposal methods, should be considered to minimize environmental impact.